Information card for entry 7040568

Structure parameters

• Formula: C25 H33 Dy N8 O12
• Calculated formula: C25 H33 Dy N8 O12
• SMILES: [Dy]123456([O]7CC[O]1CC[N]4(Cc1[n]2c(C[N]3(CC7)Cc2[n]5cccc2)ccc1)Cc1[n]6cccc1)([OH2])ON(=O)=O.O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour.
• Authors of publication: Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15114 - 15121
• a: 11.4177 ± 0.0004 Å
• b: 11.4177 ± 0.0004 Å
• c: 22.4321 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No